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- Carnegie Institution for ScienceUS218 papers
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6 papers · 1 filter
Structural response of alpha-quartz under plate-impact shock compression
Sally June Tracy, Stefan J. Turneaure, Thomas S. Duffy
Due to its far-reaching applications in geophysics and materials science, quartz has been one of the most extensively examined materials under dynamic compression. Despite 50 years…
Phase transitions and spin-state of iron in FeO at the conditions of Earth's deep interior
E. Greenberg, R. Nazarov, A. Landa +8
Iron-bearing oxides undergo a series of pressure-induced electronic, spin and structural transitions that can cause seismic anomalies and dynamic instabilities in Earth's mantle an…
Generalized hydrodynamics revisited
James Dufty, Kai Luo, Jeffrey Wrighton
During the past decade a number of attempts to formulate a continuum description of complex states of matter have been proposed to circumvent more cumbersome many-body and simulati…
Novel rhenium carbides at 200 GPa
Saiana Khandarkhaeva, Timofey Fedotenko, Maxim Bykov +7
Laser heating of rhenium in a diamond anvil cell to 3000 K at about 200 GPa results in formation of two previously unknown rhenium carbides, hexagonal WC-type structured ReC and or…
Towards accurate orbital-free simulations: a generalized gradient approximation for the non-interacting free energy density functional
Kai Luo, Valentin V. Karasiev, S. B. Trickey
For orbital-free {\it ab initio} molecular dynamics, especially on systems in extreme thermodynamic conditions, we provide the first pseudo-potential-adapted generalized gradient a…
Novel Superstructure-Phase Two-Dimensional Material 1-VSe at High Pressure
Raimundas Sereika, Changyong Park, Curtis Kenney-Benson +11
A superstructure can elicit versatile new properties of materials by breaking their original geometrical symmetries. It is an important topic in the layered graphene-like two-dimen…